benzene;palladium(2+);(2,3,4,5,6-pentadeuteriophenyl)-diphenylphosphane;triphenylphosphane

C42H35P2Pd+ — CID 139250634

IUPACbenzene;palladium(2+);(2,3,4,5,6-pentadeuteriophenyl)-diphenylphosphane;triphenylphosphane
SMILES[2H]c1c([2H])c([2H])c(P(c2ccccc2)c2ccccc2)c([2H])c1[2H].[Pd+2].[c-]1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C6H5.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1;/h2*1-15H;1-5H;/q;;-1;+2/i1D,4D,5D,10D,11D;;;
InChIKeyWEDNHDOHKNYONH-WDDNMAMUSA-N
MW713.14 g/mol
LogP8.37
Rot. Bonds6

About benzene;palladium(2+);(2,3,4,5,6-pentadeuteriophenyl)-diphenylphosphane;triphenylphosphane

benzene;palladium(2+);(2,3,4,5,6-pentadeuteriophenyl)-diphenylphosphane;triphenylphosphane (PubChem CID 139250634) has the molecular formula C42H35P2Pd+ and a molecular weight of 713.14 g/mol. Its IUPAC name is benzene;palladium(2+);(2,3,4,5,6-pentadeuteriophenyl)-diphenylphosphane;triphenylphosphane.

Molecular Properties

Compound Namebenzene;palladium(2+);(2,3,4,5,6-pentadeuteriophenyl)-diphenylphosphane;triphenylphosphane
PubChem CID139250634
Molecular FormulaC42H35P2Pd+
Molecular Weight713.14 g/mol
Exact Mass712.16
IUPAC Namebenzene;palladium(2+);(2,3,4,5,6-pentadeuteriophenyl)-diphenylphosphane;triphenylphosphane
SMILES[2H]c1c([2H])c([2H])c(P(c2ccccc2)c2ccccc2)c([2H])c1[2H].[Pd+2].[c-]1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C6H5.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1;/h2*1-15H;1-5H;/q;;-1;+2/i1D,4D,5D,10D,11D;;;
InChIKeyWEDNHDOHKNYONH-WDDNMAMUSA-N
XLogP8.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.14
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

benzene;bromopalladium(1+);bis(triphenylphosphane)
CID 24939776
CID 10995722
CID 10995722
plutonium;triphenylphosphane
CID 161300359
benzene;bis(gold(1+));bis(triphenylphosphane)
CID 11251688
triphenylphosphane
CID 139056248
zinc;fluorobenzene;palladium(2+);tetrakis(triphenylphosphane);chloride
CID 173077921
rhenium;bis(triphenylphosphane);trichloride;hydrate
CID 131675016
pentakis(palladium);hexadecakis(triphenylphosphane)
CID 173116735
triphenylphosphane;yttrium
CID 139917776
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
CID 87948921
CID 87948921

Frequently Asked Questions

What is the IUPAC name of benzene;palladium(2+);(2,3,4,5,6-pentadeuteriophenyl)-diphenylphosphane;triphenylphosphane?
The IUPAC name of benzene;palladium(2+);(2,3,4,5,6-pentadeuteriophenyl)-diphenylphosphane;triphenylphosphane (CID 139250634) is benzene;palladium(2+);(2,3,4,5,6-pentadeuteriophenyl)-diphenylphosphane;triphenylphosphane.
What is the SMILES notation for benzene;palladium(2+);(2,3,4,5,6-pentadeuteriophenyl)-diphenylphosphane;triphenylphosphane?
The canonical SMILES for benzene;palladium(2+);(2,3,4,5,6-pentadeuteriophenyl)-diphenylphosphane;triphenylphosphane is [2H]c1c([2H])c([2H])c(P(c2ccccc2)c2ccccc2)c([2H])c1[2H].[Pd+2].[c-]1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzene;palladium(2+);(2,3,4,5,6-pentadeuteriophenyl)-diphenylphosphane;triphenylphosphane?
The InChIKey is WEDNHDOHKNYONH-WDDNMAMUSA-N. The full InChI is InChI=1S/2C18H15P.C6H5.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1;/h2*1-15H;1-5H;/q;;-1;+2/i1D,4D,5D,10D,11D;;;.
What are the key properties of benzene;palladium(2+);(2,3,4,5,6-pentadeuteriophenyl)-diphenylphosphane;triphenylphosphane?
benzene;palladium(2+);(2,3,4,5,6-pentadeuteriophenyl)-diphenylphosphane;triphenylphosphane has a molecular weight of 713.14 g/mol, XLogP of 8.37, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;palladium(2+);(2,3,4,5,6-pentadeuteriophenyl)-diphenylphosphane;triphenylphosphane is sourced from PubChem (CID 139250634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).